5-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(2-methyl-5-morpholinosulfonyl-phenyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(2-methyl-5-morpholinosulfonyl-phenyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C19H19N4O3S2- MolecularWeight: 415.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C19H20N4O3S2/c1-14-7-8-16(28(24,25)22-9-11-26-12-10-22)13-17(14)18-20-21-19(27)23(18)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,21,27)/p-1